methyl 3-[5-(methoxycarbonylamino)-1-propan-2-ylpiperidin-3-yl]propanoate

C14H26N2O4 — CID 112543128

IUPACmethyl 3-[5-(methoxycarbonylamino)-1-propan-2-ylpiperidin-3-yl]propanoate
SMILESCOC(=O)CCC1CC(NC(=O)OC)CN(C(C)C)C1
InChIInChI=1S/C14H26N2O4/c1-10(2)16-8-11(5-6-13(17)19-3)7-12(9-16)15-14(18)20-4/h10-12H,5-9H2,1-4H3,(H,15,18)
InChIKeyOOBXVWQKKVFIEJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.39
Rot. Bonds5

About methyl 3-[5-(methoxycarbonylamino)-1-propan-2-ylpiperidin-3-yl]propanoate

methyl 3-[5-(methoxycarbonylamino)-1-propan-2-ylpiperidin-3-yl]propanoate (PubChem CID 112543128) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is methyl 3-[5-(methoxycarbonylamino)-1-propan-2-ylpiperidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[5-(methoxycarbonylamino)-1-propan-2-ylpiperidin-3-yl]propanoate
PubChem CID112543128
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Namemethyl 3-[5-(methoxycarbonylamino)-1-propan-2-ylpiperidin-3-yl]propanoate
SMILESCOC(=O)CCC1CC(NC(=O)OC)CN(C(C)C)C1
InChIInChI=1S/C14H26N2O4/c1-10(2)16-8-11(5-6-13(17)19-3)7-12(9-16)15-14(18)20-4/h10-12H,5-9H2,1-4H3,(H,15,18)
InChIKeyOOBXVWQKKVFIEJ-UHFFFAOYSA-N
XLogP1.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[5-(methoxycarbonylamino)-1-propan-2-ylpiperidin-3-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propan-2-ylpiperidin-3-yl]carbamate
CID 112543133
3-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid
CID 83989667
methyl 3-[1-acetyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]propanoate
CID 112544479
2-methyl-N-(1-propan-2-yl-5-propylpiperidin-3-yl)propanamide
CID 112542636
N-[5-(3-hydroxypropyl)-1-propan-2-ylpiperidin-3-yl]acetamide
CID 112541751
methyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate
CID 112543702
3-[1-carbamoyl-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid
CID 112543175
3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 112543061
methyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate
CID 112543268
3-[5-(2,2-difluoroethylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid
CID 83992910
3-[1-(cyanomethyl)-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid
CID 112543531
methyl 3-[1-ethyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate
CID 83995572

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(methoxycarbonylamino)-1-propan-2-ylpiperidin-3-yl]propanoate?
The IUPAC name of methyl 3-[5-(methoxycarbonylamino)-1-propan-2-ylpiperidin-3-yl]propanoate (CID 112543128) is methyl 3-[5-(methoxycarbonylamino)-1-propan-2-ylpiperidin-3-yl]propanoate.
What is the SMILES notation for methyl 3-[5-(methoxycarbonylamino)-1-propan-2-ylpiperidin-3-yl]propanoate?
The canonical SMILES for methyl 3-[5-(methoxycarbonylamino)-1-propan-2-ylpiperidin-3-yl]propanoate is COC(=O)CCC1CC(NC(=O)OC)CN(C(C)C)C1.
What is the InChIKey of methyl 3-[5-(methoxycarbonylamino)-1-propan-2-ylpiperidin-3-yl]propanoate?
The InChIKey is OOBXVWQKKVFIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(2)16-8-11(5-6-13(17)19-3)7-12(9-16)15-14(18)20-4/h10-12H,5-9H2,1-4H3,(H,15,18).
What are the key properties of methyl 3-[5-(methoxycarbonylamino)-1-propan-2-ylpiperidin-3-yl]propanoate?
methyl 3-[5-(methoxycarbonylamino)-1-propan-2-ylpiperidin-3-yl]propanoate has a molecular weight of 286.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(methoxycarbonylamino)-1-propan-2-ylpiperidin-3-yl]propanoate is sourced from PubChem (CID 112543128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).